ChemSpider 2D Image | 5-Ethynyl-1,3-benzenediol | C8H6O2

5-Ethynyl-1,3-benzenediol

  • Molecular FormulaC8H6O2
  • Average mass134.132 Da
  • Monoisotopic mass134.036774 Da
  • ChemSpider ID24184286

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzenediol, 5-ethynyl- [ACD/Index Name]
5-Ethinyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
5-Ethynyl-1,3-benzenediol [ACD/IUPAC Name]
5-Éthynyl-1,3-benzènediol [French] [ACD/IUPAC Name]
"5-ETHYNYLBENZENE-1,3-DIOL"|"5-ETHYNYLBENZENE-1,3-DIOL"
1,3-Benzenediol, 5-ethynyl- (9CI)
1,3-BENZENEDIOL,5-ETHYNYL-
145078-84-8 [RN]
5-ethynyl-1,3-benzenediol(wxc09211)
5-ethynylbenzene-1,3-diol
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 282.0±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.2±3.0 kJ/mol
    Flash Point: 141.6±13.6 °C
    Index of Refraction: 1.643
    Molar Refractivity: 36.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 4.06
    ACD/KOC (pH 5.5): 94.92
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 3.91
    ACD/KOC (pH 7.4): 91.25
    Polar Surface Area: 40 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 68.6±5.0 dyne/cm
    Molar Volume: 102.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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